Tristearin

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  • Identifiers

    CAS number
    555-43-1

    Molecular formula
    C57H110O6

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

  • Odor profile

    Waxy 75.47%
    Fatty 64.11%
    Oily 47.51%
    Odorless 37.56%
    Creamy 22.81%
    Sweet 19.88%
    Dairy 16.18%
    Buttery 15.9%
    Milky 15.25%
    Alcoholic 15.0%

    Scent© AI

  • Properties

    XLogP3-AA
    25.2

    Molecular weight
    891.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    639°C

    Melting point expt.

    • MP: 55 °C (ALPHA), 64.5 °C (BETA'), 73 °C (BETA)

    Flash point est.
    310.89 ˚C

    Solubility expt.

    • Insoluble in water. Soluble in chloroform, carbon disulfide
    • Insoluble in ethanol; very soluble in acetone, benzene
    • Soluble in hot alcohol; almost insoluble in cold alcohol, ether, petroleum ether

  • Synonyms

    • TRISTEARIN
    • 555-43-1
    • Glycerol tristearate
    • Propane-1,2,3-triyl tristearate
    • Glyceryl tristearate
    • Stearin
    • Trioctadecanoin
    • Stearic triglyceride
    • TRISTEAROYLGLYCEROL
    • triacylglycerol
    • Stearin, tri-
    • Spezialfett 118
    • Stearoyl triglyceride
    • Dynasan 118
    • Stearic acid triglycerin ester
    • Stearic acid triglyceride
    • 2,3-di(octadecanoyloxy)propyl octadecanoate
    • Glycerol, trioctadecanoate
    • Octadecanoic acid, 1,2,3-propanetriyl ester
    • TG(18:0/18:0/18:0)
    • P6OCJ2551R
    • 1,2,3-trioctadecanoyl-glycerol
    • 1,2,3-trioctadecanoyl-sn-glycerol
    • propane-1,2,3-triyl trioctadecanoate
    • Glyceryl tristearate (NF)
    • GLYCERYL TRISTEARATE [NF]
    • Octadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
    • HSDB 5690
    • EINECS 209-097-6
    • C57H110O6
    • UNII-P6OCJ2551R
    • Tristealin
    • AI3-01633
    • 1,2,3-Propanetriol trioctadecanoate
    • trioctadecanoylglycerol
    • Tristearin (Standard)
    • beta-tristearin (SSS)
    • Glycerol trioctadecanoate
    • TRISTEARIN [II]
    • TRISTEARIN [MI]
    • TRISTEARIN [HSDB]
    • EC 209-097-6
    • SCHEMBL9507
    • Kemester 6000 (Salt/Mix)
    • 1,2,3-Trioctadecanoylglycerol
    • Glyceryl tristearate, >=99%
    • Glyceryl tristearate, technical
    • DTXSID8047503
    • Propane-1,2,3-triyltristearate
    • CHEBI:45956
    • GLYCERYL TRISTEARATE [FCC]
    • 1,2,3-Propanetriyl trioctadecanoate
    • LMGL03010002
    • MFCD00036230
    • AKOS015899779
    • beta-1,2,3-tri-octadecanoyl-glycerol
    • 2,3-Bis(stearoyloxy)propyl stearate #
    • FG33457
    • HY-127035R
    • AS-11714
    • DA-58754
    • 1-stearoyl-2-stearoyl-3-stearoyl-glycerol
    • HY-127035
    • CS-0092148
    • G0212
    • NS00010215
    • D10637
    • D90727
    • Q425640
    • Tristearin, European Pharmacopoeia (EP) Reference Standard
    • 209-097-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.67
    methanol 13.53
    isopropanol 11.46
    water 0.5
    ethyl acetate 169.2
    n-propanol 19.81
    acetone 108.76
    n-butanol 18.24
    acetonitrile 43.15
    DMF 223.15
    toluene 68.46
    isobutanol 18.47
    1,4-dioxane 121.88
    methyl acetate 138.38
    THF 293.05
    2-butanone 145.48
    n-pentanol 21.41
    sec-butanol 25.89
    n-hexane 10.96
    ethylene glycol 2.89
    NMP 822.55
    cyclohexane 29.45
    DMSO 225.14
    n-butyl acetate 120.12
    n-octanol 30.9
    chloroform 466.03
    n-propyl acetate 151.53
    acetic acid 101.45
    dichloromethane 491.38
    cyclohexanone 370.14
    propylene glycol 7.17
    isopropyl acetate 142.76
    DMAc 613.95
    2-ethoxyethanol 59.97
    isopentanol 20.97
    n-heptane 8.89
    ethyl formate 84.61
    1,2-dichloroethane 255.53
    n-hexanol 17.1
    2-methoxyethanol 54.8
    isobutyl acetate 86.9
    tetrachloromethane 113.95
    n-pentyl acetate 216.76
    transcutol 291.0
    n-heptanol 25.65
    ethylbenzene 46.98
    MIBK 93.8
    2-propoxyethanol 57.21
    tert-butanol 21.54
    MTBE 64.45
    2-butoxyethanol 85.69
    propionic acid 80.83
    o-xylene 76.21
    formic acid 27.68
    diethyl ether 51.78
    m-xylene 53.14
    p-xylene 71.93
    chlorobenzene 146.39
    dimethyl carbonate 116.92
    n-octane 6.07
    formamide 50.84
    cyclopentanone 444.81
    2-pentanone 122.67
    anisole 93.4
    cyclopentyl methyl ether 174.31
    gamma-butyrolactone 588.17
    1-methoxy-2-propanol 60.09
    pyridine 192.04
    3-pentanone 157.17
    furfural 399.48
    n-dodecane 3.49
    diethylene glycol 23.46
    diisopropyl ether 31.1
    tert-amyl alcohol 43.84
    acetylacetone 260.77
    n-hexadecane 4.16
    acetophenone 173.71
    methyl propionate 170.79
    isopentyl acetate 116.61
    trichloroethylene 604.71
    n-nonanol 33.55
    cyclohexanol 56.7
    benzyl alcohol 51.11
    2-ethylhexanol 23.77
    isooctanol 28.08
    dipropyl ether 58.1
    1,2-dichlorobenzene 223.63
    ethyl lactate 81.46
    propylene carbonate 355.33
    n-methylformamide 88.25
    2-pentanol 20.53
    n-pentane 6.91
    1-propoxy-2-propanol 68.74
    1-methoxy-2-propyl acetate 156.95
    2-(2-methoxypropoxy) propanol 105.58
    mesitylene 39.86
    ε-caprolactone 427.73
    p-cymene 36.73
    epichlorohydrin 430.97
    1,1,1-trichloroethane 393.4
    2-aminoethanol 9.22
    morpholine-4-carbaldehyde 363.11
    sulfolane 1005.83
    2,2,4-trimethylpentane 10.51
    2-methyltetrahydrofuran 226.97
    n-hexyl acetate 183.62
    isooctane 3.99
    2-(2-butoxyethoxy)ethanol 107.32
    sec-butyl acetate 126.92
    tert-butyl acetate 187.83
    decalin 18.35
    glycerin 16.28
    diglyme 291.32
    acrylic acid 75.53
    isopropyl myristate 56.03
    n-butyric acid 125.56
    acetyl acetate 194.86
    di(2-ethylhexyl) phthalate 63.49
    ethyl propionate 167.49
    nitromethane 294.38
    1,2-diethoxyethane 133.53
    benzonitrile 83.48
    trioctyl phosphate 41.2
    1-bromopropane 112.44
    gamma-valerolactone 558.32
    n-decanol 20.22
    triethyl phosphate 117.08
    4-methyl-2-pentanol 16.06
    propionitrile 47.64
    vinylene carbonate 302.71
    1,1,2-trichlorotrifluoroethane 346.52
    DMS 185.89
    cumene 35.33
    2-octanol 26.4
    2-hexanone 119.85
    octyl acetate 76.67
    limonene 60.06
    1,2-dimethoxyethane 145.81
    ethyl orthosilicate 101.24
    tributyl phosphate 63.45
    diacetone alcohol 131.08
    N,N-dimethylaniline 84.53
    acrylonitrile 64.53
    aniline 65.21
    1,3-propanediol 15.89
    bromobenzene 185.19
    dibromomethane 259.39
    1,1,2,2-tetrachloroethane 557.05
    2-methyl-cyclohexyl acetate 128.76
    tetrabutyl urea 95.26
    diisobutyl methanol 18.55
    2-phenylethanol 41.6
    styrene 53.97
    dioctyl adipate 114.75
    dimethyl sulfate 347.72
    ethyl butyrate 148.86
    methyl lactate 90.8
    butyl lactate 142.99
    diethyl carbonate 105.47
    propanediol butyl ether 65.65
    triethyl orthoformate 134.95
    p-tert-butyltoluene 34.55
    methyl 4-tert-butylbenzoate 218.76
    morpholine 144.72
    tert-butylamine 15.38
    n-dodecanol 13.32
    dimethoxymethane 117.44
    ethylene carbonate 248.73
    cyrene 152.14
    2-ethoxyethyl acetate 278.98
    2-ethylhexyl acetate 107.94
    1,2,4-trichlorobenzene 305.94
    4-methylpyridine 181.6
    dibutyl ether 70.89
    2,6-dimethyl-4-heptanol 18.55
    DEF 222.17
    dimethyl isosorbide 259.59
    tetrachloroethylene 328.27
    eugenol 133.2
    triacetin 322.65
    span 80 87.32
    1,4-butanediol 10.26
    1,1-dichloroethane 219.28
    2-methyl-1-pentanol 28.4
    methyl formate 85.95
    2-methyl-1-butanol 27.12
    n-decane 8.36
    butyronitrile 41.49
    3,7-dimethyl-1-octanol 31.98
    1-chlorooctane 43.55
    1-chlorotetradecane 13.08
    n-nonane 7.77
    undecane 4.97
    tert-butylcyclohexane 12.84
    cyclooctane 12.69
    cyclopentanol 65.19
    tetrahydropyran 148.33
    tert-amyl methyl ether 90.24
    2,5,8-trioxanonane 165.39
    1-hexene 26.59
    2-isopropoxyethanol 52.75
    2,2,2-trifluoroethanol 90.04
    methyl butyrate 211.5

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction